(E)-tert-butyl 2-(4-(3-(hydroxyamino)-3-oxoprop-1-enyl)benzoyl)hydrazinecarboxylate | 1223593-73-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-tert-butyl 2-(4-(3-(hydroxyamino)-3-oxoprop-1-enyl)benzoyl)hydrazinecarboxylate
• 英文别名: tert-butyl N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]amino]carbamate
• CAS: 1223593-73-4
• 化学式: C₁₅H₁₉N₃O₅
• 分子量: 321.333
• InChiKey: VGRMWNFCYPJMQR-RMKNXTFCSA-N

物化性质

• 密度：
  1.272±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  117
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (E)-tert-butyl 2-(4-(3-(hydroxyamino)-3-oxoprop-1-enyl)benzoyl)hydrazinecarboxylate 在 盐酸 、 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 生成 (E)-3-(4-(hydrazinecarbonyl)phenyl)-N-hydroxyacrylamide
  参考文献：
  名称：

  [EN] CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE HDAC CLASSE- ET ISOFORME-SPÉCIFIQUES ET UTILISATIONS DE CEUX-CI

  摘要：

  公开号：

  WO2011019393A3
• 作为产物：
  描述：

  (E)-4-(3-ethoxy-3-oxoprop-1-en-1-yl)benzoic acid 在 4-二甲氨基吡啶 盐酸羟胺 、 三乙胺 、 氯甲酸甲酯 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 22.0h， 生成 (E)-tert-butyl 2-(4-(3-(hydroxyamino)-3-oxoprop-1-enyl)benzoyl)hydrazinecarboxylate
  参考文献：
  名称：

  [EN] CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE HDAC CLASSE- ET ISOFORME-SPÉCIFIQUES ET UTILISATIONS DE CEUX-CI

  摘要：

  公开号：

  WO2011019393A3

文献信息

• CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF
  申请人：Mazitschek Ralph

  公开号：US20120208889A1

  公开（公告）日：2012-08-16

  HDAC inhibitors of the general formula (I) and (II) and pharmaceutically acceptable salts thereof, as described herein, are useful as inhibitors of histone deacetylases or other deacetylases, and thus are useful for the treatment of various diseases and disorders associated with acetylase/deacetylase activity as described herein (e.g., cancer). In certain embodiments, the compounds of the invention selectively target either a class or isoform of the HDAC family. Another aspect of the invention provides an assay for determining the inhibitory effect of a test compound on an HDAC protein comprising: incubating the HDAC protein with a substrate of general formula (IIIc) in the presence of a test compound; and determining the activity of the HDAC protein.

  本文描述的具有一般式（I）和（II）及其药学上可接受的盐的HDAC抑制剂，可用作组蛋白去乙酰化酶或其他去乙酰化酶的抑制剂，并因此可用于治疗与去乙酰化酶/乙酰化酶活性相关的各种疾病和疾病，如本文所述（例如癌症）。在某些实施例中，本发明的化合物有选择性地靶向HDAC家族的一类或同工酶。本发明的另一个方面提供了一种测定试验化合物对HDAC蛋白质抑制作用的测定方法，包括：在试验化合物的存在下，将HDAC蛋白质与一般式（IIIc）的底物孵育，并确定HDAC蛋白质的活性。
• Class-and isoform-specific HDAC inhibitors and uses thereof
  申请人：President and Fellows of Harvard College

  公开号：US10059657B2

  公开（公告）日：2018-08-28

  HDAC inhibitors of the general formula (I) and (II) and pharmaceutically acceptable salts thereof, as described herein, are useful as inhibitors of histone deacetylases or other deacetylases, and thus are useful for the treatment of various diseases and disorders associated with acetylase/deacetylase activity as described herein (e.g., cancer). In certain embodiments, the compounds of the invention selectively target either a class or isoform of the HDAC family. Another aspect of the invention provides an assay for determining the inhibitory effect of a test compound on an HDAC protein comprising: incubating the HDAC protein with a substrate of general formula (IIIc) in the presence of a test compound; and determining the activity of the HDAC protein.

  本文所述通式(I)和(II)的HDAC抑制剂及其药学上可接受的盐类可作为组蛋白去乙酰化酶或其他去乙酰化酶的抑制剂，因此可用于治疗与本文所述乙酰化酶/去乙酰化酶活性相关的各种疾病和失调（如癌症）。在某些实施方案中，本发明的化合物选择性地靶向 HDAC 家族的一类或同工酶。本发明的另一方面提供了一种测定受试化合物对HDAC蛋白的抑制作用的方法，包括：在受试化合物存在下，将HDAC蛋白与通式（IIIc）的底物孵育；测定HDAC蛋白的活性。
• ANTI-PROLIFERATIVE COMPOUNDS AND USES THEREOF
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20150191417A1

  公开（公告）日：2015-07-09

  The present invention provides novel compounds of Formula (I), and pharmaceutically acceptable salts, tautomers, stereoisomers, solvates, hydrates, polymorphs, and compositions thereof. Also provided are methods and kits involving the inventive compounds for treating proliferative diseases (e.g., cancers (e.g., breast cancer, prostate cancer, lung cancer, and ovarian cancer), benign neoplasms, angiogenesis, inflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound of the invention may enhance the anti-tumor immune response by inhibiting or eliminating the immune suppression mediated by immune suppressor myeloid cells (MDSCs), inducing apoptosis, and/or inhibit or down-regulate proteins (e.g., epidermal growth factor receptor (EGFR), human epidermal growth factor receptor 2 (HER2), estrogen receptor (ER), X-linked inhibitor of apoptosis protein (XIAP), and heat shock protein 90 (Hsp90)) in the subject.
• CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF
  申请人：President and Fellows of Harvard College

  公开号：US20170267630A1

  公开（公告）日：2017-09-21

  HDAC inhibitors of the general formula (I) and (II) and pharmaceutically acceptable salts thereof, as described herein, are useful as inhibitors of histone deacetylases or other deacetylases, and thus are useful for the treatment of various diseases and disorders associated with acetylase/deacetylase activity as described herein (e.g., cancer). In certain embodiments, the compounds of the invention selectively target either a class or isoform of the HDAC family. Another aspect of the invention provides an assay for determining the inhibitory effect of a test compound on an HDAC protein comprising: incubating the HDAC protein with a substrate of general formula (IIIc) in the presence of a test compound; and determining the activity of the HDAC protein.
• US8716344B2
  申请人：——

  公开号：US8716344B2

  公开（公告）日：2014-05-06